N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide

C8H16N2 — CID 123195959

IUPACN-but-2-en-2-yl-N'-propan-2-ylmethanimidamide
SMILESCC=C(C)N/C=N/C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(4)10-6-9-7(2)3/h5-7H,1-4H3,(H,9,10)
InChIKeyGKGGFKNUVOTHRG-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.94
Rot. Bonds3

About N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide

N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide (PubChem CID 123195959) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N'-propan-2-ylmethanimidamide
PubChem CID123195959
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-but-2-en-2-yl-N'-propan-2-ylmethanimidamide
SMILESCC=C(C)N/C=N/C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(4)10-6-9-7(2)3/h5-7H,1-4H3,(H,9,10)
InChIKeyGKGGFKNUVOTHRG-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-1,4-dihydropyrimidine
CID 19748724
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
N,6-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452821
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007
N-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 90809121
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N'-ethyl-N-prop-1-en-2-ylmethanimidamide
CID 91052461
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 91073964
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
CID 91170890
N-[(Z)-1-aminoprop-1-en-2-yl]-N'-methylmethanimidamide
CID 118689711
N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
CID 118900942

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide?
The IUPAC name of N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide (CID 123195959) is N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide.
What is the SMILES notation for N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide?
The canonical SMILES for N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide is CC=C(C)N/C=N/C(C)C.
What is the InChIKey of N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide?
The InChIKey is GKGGFKNUVOTHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(4)10-6-9-7(2)3/h5-7H,1-4H3,(H,9,10).
What are the key properties of N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide?
N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 123195959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).